N-[(2R)-1-aminopropan-2-yl]-2-bromo-4-methylbenzenesulfonamide

C10H15BrN2O2S — CID 104873294

IUPACN-[(2R)-1-aminopropan-2-yl]-2-bromo-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](C)CN)c(Br)c1
InChIInChI=1S/C10H15BrN2O2S/c1-7-3-4-10(9(11)5-7)16(14,15)13-8(2)6-12/h3-5,8,13H,6,12H2,1-2H3/t8-/m1/s1
InChIKeyDZMPTIAGELJUBX-MRVPVSSYSA-N
MW307.21 g/mol
LogP1.38
Rot. Bonds4

About N-[(2R)-1-aminopropan-2-yl]-2-bromo-4-methylbenzenesulfonamide

N-[(2R)-1-aminopropan-2-yl]-2-bromo-4-methylbenzenesulfonamide (PubChem CID 104873294) has the molecular formula C10H15BrN2O2S and a molecular weight of 307.21 g/mol. Its IUPAC name is N-[(2R)-1-aminopropan-2-yl]-2-bromo-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-aminopropan-2-yl]-2-bromo-4-methylbenzenesulfonamide
PubChem CID104873294
Molecular FormulaC10H15BrN2O2S
Molecular Weight307.21 g/mol
Exact Mass306.00
IUPAC NameN-[(2R)-1-aminopropan-2-yl]-2-bromo-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](C)CN)c(Br)c1
InChIInChI=1S/C10H15BrN2O2S/c1-7-3-4-10(9(11)5-7)16(14,15)13-8(2)6-12/h3-5,8,13H,6,12H2,1-2H3/t8-/m1/s1
InChIKeyDZMPTIAGELJUBX-MRVPVSSYSA-N
XLogP1.38
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.21
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-methyl-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 60732124
N-(1-aminopropan-2-yl)-2-chloro-4-methylbenzenesulfonamide
CID 63732403
2-bromo-N-(3,3-dimethylbutan-2-yl)-4-methylbenzenesulfonamide
CID 115622947
2-bromo-N-[1-(4-bromophenyl)ethyl]-4-methylbenzenesulfonamide
CID 60732136
N-(1-aminopropan-2-yl)-4-bromo-2-chlorobenzenesulfonamide
CID 63733223
2-bromo-N-[(2S)-1-hydroxybutan-2-yl]-4-methylbenzenesulfonamide
CID 93084038
2-bromo-N-(1-hydroxybutan-2-yl)-4-methylbenzenesulfonamide
CID 43501641
N-[(2S)-1-aminopropan-2-yl]-3-bromo-5-methylbenzenesulfonamide;hydrochloride
CID 120713137
2-bromo-4-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102907709
2-[(2-bromo-4-methylphenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 43132336
2-bromo-N-(2-methoxypropyl)-4-methylbenzenesulfonamide
CID 102697677
N-[3-(aminomethyl)pentan-3-yl]-2-bromo-4-methylbenzenesulfonamide
CID 63888396

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-aminopropan-2-yl]-2-bromo-4-methylbenzenesulfonamide?
The IUPAC name of N-[(2R)-1-aminopropan-2-yl]-2-bromo-4-methylbenzenesulfonamide (CID 104873294) is N-[(2R)-1-aminopropan-2-yl]-2-bromo-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2R)-1-aminopropan-2-yl]-2-bromo-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(2R)-1-aminopropan-2-yl]-2-bromo-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@H](C)CN)c(Br)c1.
What is the InChIKey of N-[(2R)-1-aminopropan-2-yl]-2-bromo-4-methylbenzenesulfonamide?
The InChIKey is DZMPTIAGELJUBX-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H15BrN2O2S/c1-7-3-4-10(9(11)5-7)16(14,15)13-8(2)6-12/h3-5,8,13H,6,12H2,1-2H3/t8-/m1/s1.
What are the key properties of N-[(2R)-1-aminopropan-2-yl]-2-bromo-4-methylbenzenesulfonamide?
N-[(2R)-1-aminopropan-2-yl]-2-bromo-4-methylbenzenesulfonamide has a molecular weight of 307.21 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-aminopropan-2-yl]-2-bromo-4-methylbenzenesulfonamide is sourced from PubChem (CID 104873294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).